4-Epianhydrotetracycline

CAS Registry Number®

7518-17-4
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CAS Name

4-Epianhydrotetracycline

Molecular Formula

C22H22N2O7

Molecular Mass

426.42

Cite this Page

4-Epianhydrotetracycline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7518-17-4 (retrieved 2024-07-21) (CAS RN: 7518-17-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16+,22-/m0/s1

InChIKey

InChIKey=CXCVEERYMJZMMM-WPINSWFRSA-N

SMILES

O[C@]12[C@]([C@@H](N(C)C)C(O)=C(C(N)=O)C1=O)(CC=3C(C2=O)=C(O)C=4C(C3C)=CC=CC4O)[H]

Canonical SMILES

O=C(N)C=1C(=O)C2(O)C(=O)C=3C(O)=C4C(O)=CC=CC4=C(C3CC2C(C1O)N(C)C)C

Other Names for this Substance

  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, (4R,4aS,12aS)-
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, 4-epimer
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, [4R-(4α,4aβ,12aβ)]-
  • (4R,4aS,12aS)-4-(Dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-2-naphthacenecarboxamide
  • 4-Epianhydrotetracycline

Deleted or Replaced CAS Registry Numbers

13366-25-1, 4907-76-0